N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide

C14H13NO3 — CID 26878502

IUPACN-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C14H13NO3/c1-8-6-13(16)18-12-7-10(4-5-11(8)12)15-14(17)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,17)
InChIKeyKRNCOGCJKFACGL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.45
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide

N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide (PubChem CID 26878502) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
PubChem CID26878502
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CC3)ccc12
InChIInChI=1S/C14H13NO3/c1-8-6-13(16)18-12-7-10(4-5-11(8)12)15-14(17)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,17)
InChIKeyKRNCOGCJKFACGL-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
1-(1,3-benzodioxole-5-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-4-carboxamide
CID 46926488
N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093540
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
CID 94672087
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
(2R)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
CID 56845687
N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
CID 26053155
1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 46569122
1-cyclooctyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650553
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
CID 134131876

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide (CID 26878502) is N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide is Cc1cc(=O)oc2cc(NC(=O)C3CC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide?
The InChIKey is KRNCOGCJKFACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-6-13(16)18-12-7-10(4-5-11(8)12)15-14(17)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide?
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide is sourced from PubChem (CID 26878502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).